1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-(4-tosyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C23H30N2O6S MolecularWeight: 462.5591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H30N2O6S/c1-17-6-8-19(9-7-17)32(27,28)25-11-5-10-24(12-13-25)22(26)16-18-14-20(29-2)23(31-4)21(15-18)30-3/h6-9,14-15H,5,10-13,16H2,1-4H3